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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Feb-2018	/AsqJ_cluster_models cluster_TS-2a_OH	Wojdyła, Zuzanna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	-	-
	19-Feb-2018	/nonenzymatic_rearrangement S	Wojdyła, Zuzanna	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	-	-
	29-Apr-2024	/CHD/parallel/RC/ferro FeIIIOH_CHD_OOCCF3_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2869.0486795; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_carboxylate-tethered_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2729.3959525; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_carboxylate-untethered_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2769.8873802; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_thiolate_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2978.3260618; Eh
	29-Apr-2024	/CHD/parallel/RC/ferro FeIIIOH_CHD_NC_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2435.974704; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/ferro FeIIIOH_2F-CHD_OOCCF3_PARALLEL_RC_ferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-3067.3843791; Eh
	29-Apr-2024	/2F-CHD/parallel/RC/antiferro FeIIIOH_2F-CHD_carboxylate-untethered_PARALLEL_RC_antiferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2769.8972192; Eh
	29-Apr-2024	/CHD/parallel/RC/antiferro FeIIIOH_CHD_NC_PARALLEL_RC_antiferro	Wojdyła, Zuzanna	Gaussian; 16	Single point Structure	UB3LYP	DEF2SVP	-2435.9802158; Eh

Results 31-40 of 41 (Search time: 0.001 seconds).